SCHEMBL5437179

SCHEMBL5437179

COc1ccc2ncc(Cl)c(N)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.41
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE2A O00408 6/20 0.37
PDE10A Q9Y233 6/20 0.37
PDE6D O43924 2/20 0.37
PDE6A P16499 2/20 0.37
PDE6G P18545 2/20 0.37
PDE6B P35913 2/20 0.37
PDE6C P51160 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE6H Q13956 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28867703 0.83 PTPN11 (0.38) MAP4K4PDE2APDE10APDE6DPDE6A
SCHEMBL14358116 0.82 PDE10A (0.39) MAP4K4PDE2APDE10APDE6DPDE6A
SCHEMBL29692882 0.81 EGFR (0.41) MAP4K4PDE2APDE10APDE6DPDE6A
SCHEMBL2770307 0.81 KCNH2 (0.36) MAP4K4PDE2APDE10APDE6DPDE6A
SCHEMBL30775555 0.81 MAP4K4 (0.41) MAP4K4KDM4ENPC1GAAMAPT
SCHEMBL3379185 0.81 MAP4K4 (0.41) MAP4K4KDM4ENPC1GAAMAPT
SCHEMBL1075499 0.81 EGFR (0.41) MAP4K4PDE2APDE10APDE6DPDE6A
SCHEMBL4507986 0.81 MAP4K4 (0.41) MAP4K4PDE10APIK3CDPIP5K1CPIK3CA
SCHEMBL2038287 0.81 MAP4K4 (0.41) MAP4K4KDM4ENPC1GAAMAPT
SCHEMBL29692824 0.81 KCNH2 (0.36) MAP4K4PDE2APDE10APDE6DPDE6A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B MAP4K4 2777/4885KDM4E 2755/4885NPC1 4043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.